Home Other Building Blocks 3-methyl-5-phenylcyclohex-2-en-1-one

3-methyl-5-phenylcyclohex-2-en-1-one

CAS No.:
5337-88-2
Catalog Number:
AG019U5S
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
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Product Description
Catalog Number:
AG019U5S
Chemical Name:
3-methyl-5-phenylcyclohex-2-en-1-one
CAS Number:
5337-88-2
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
MDL Number:
MFCD00795103
IUPAC Name:
3-methyl-5-phenylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H14O/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11/h2-6,8,12H,7,9H2,1H3
InChI Key:
NIWQFOONBVIMGR-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)CC(C1)c1ccccc1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties